4-[(2-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide

C22H27F2N7O2 — CID 90155136

IUPAC4-[(2-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC1CCCC1F
InChIInChI=1S/C22H27F2N7O2/c1-22(2,33)17(24)12-26-21(32)13-11-25-19(10-16(13)28-15-5-3-4-14(15)23)29-18-7-9-31-20(30-18)6-8-27-31/h6-11,14-15,17,33H,3-5,12H2,1-2H3,(H,26,32)(H2,25,28,29,30)/t14?,15?,17-/m1/s1
InChIKeyDODGPWYSZSHDMX-VMBOVVBDSA-N
MW459.50 g/mol
LogP3.01
Rot. Bonds8

About 4-[(2-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide

4-[(2-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide (PubChem CID 90155136) has the molecular formula C22H27F2N7O2 and a molecular weight of 459.50 g/mol. Its IUPAC name is 4-[(2-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(2-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide
PubChem CID90155136
Molecular FormulaC22H27F2N7O2
Molecular Weight459.50 g/mol
Exact Mass459.22
IUPAC Name4-[(2-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC1CCCC1F
InChIInChI=1S/C22H27F2N7O2/c1-22(2,33)17(24)12-26-21(32)13-11-25-19(10-16(13)28-15-5-3-4-14(15)23)29-18-7-9-31-20(30-18)6-8-27-31/h6-11,14-15,17,33H,3-5,12H2,1-2H3,(H,26,32)(H2,25,28,29,30)/t14?,15?,17-/m1/s1
InChIKeyDODGPWYSZSHDMX-VMBOVVBDSA-N
XLogP3.01
TPSA116.47 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 53.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-[(2-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide?
The IUPAC name of 4-[(2-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide (CID 90155136) is 4-[(2-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 4-[(2-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 4-[(2-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccn3nccc3n2)cc1NC1CCCC1F.
What is the InChIKey of 4-[(2-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide?
The InChIKey is DODGPWYSZSHDMX-VMBOVVBDSA-N. The full InChI is InChI=1S/C22H27F2N7O2/c1-22(2,33)17(24)12-26-21(32)13-11-25-19(10-16(13)28-15-5-3-4-14(15)23)29-18-7-9-31-20(30-18)6-8-27-31/h6-11,14-15,17,33H,3-5,12H2,1-2H3,(H,26,32)(H2,25,28,29,30)/t14?,15?,17-/m1/s1.
What are the key properties of 4-[(2-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide?
4-[(2-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide has a molecular weight of 459.50 g/mol, XLogP of 3.01, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 90155136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).